CID 15580818

4-(2-methyl-1,3-dioxolan-2-yl)butan-1-amine

Structural Information

Molecular Formula
C8H17NO2
SMILES
CC1(OCCO1)CCCCN
InChI
InChI=1S/C8H17NO2/c1-8(4-2-3-5-9)10-6-7-11-8/h2-7,9H2,1H3
InChIKey
ZCUJMFCFOODBGV-UHFFFAOYSA-N
Compound name
4-(2-methyl-1,3-dioxolan-2-yl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

159.12593 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.133206 135.4
[M+Na]+ 182.115148 141.0
[M-H]- 158.118654 139.0
[M+NH4]+ 177.159753 156.6
[M+K]+ 198.089088 142.4
[M+H-H2O]+ 142.123190 130.7
[M+HCOO]- 204.124131 156.9
[M+CH3COO]- 218.139781 176.9
[M+Na-2H]- 180.100596 142.2
[M]+ 159.12538142 135.3
[M]- 159.12647858 135.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe